| Identification | More | [Name]
FEMA 3403 | [CAS]
31501-11-8 | [Synonyms]
C3 HEXENYL CAPROATE
C3 HEXENYL HEXANOATE
CIS-3-HEXEN-1-YL N-HEXANOATE
CIS-3-HEXENYL CAPROATE
CIS-3-HEXENYL HEXANOATE
CIS-HEX-3-ENYL HEXANOATE
FEMA 3403
HEXENYL-CIS-3-CAPROATE
HEXENYL-CIS-3-HEXANOATE
N-CAPROIC ACID CIS-3-HEXEN-1-YL ESTER
N-CAPROIC ACID CIS-3-HEXNE-1-YL ESTER
N-HEXANOIC ACID CIS-3-HEXEN-1-YL ESTER
(Z)-3-HEXENYL CAPROATE
(Z)-3-HEXENYL HEXANOATE
(3Z)-3-Hexenyl hexanoate
(Z)-3-Hexen-1-ol, hexanoate
3-Hexen-1-ol hexanoate, cis
3-Hexenyl hexanoate, (Z)-
3-hexenylester,(z)-hexanoicaci
3-hexenylester,(Z)-Hexanoicacid | [EINECS(EC#)]
250-661-6 | [Molecular Formula]
C12H22O2 | [MDL Number]
MFCD00036552 | [Molecular Weight]
198.3 | [MOL File]
31501-11-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
17.88°C (estimate) | [Boiling point ]
115 °C15 mm Hg(lit.) | [density ]
0.88 g/mL at 25 °C(lit.)
| [FEMA ]
3403 | [refractive index ]
n20/D 1.473(lit.)
| [Fp ]
220 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Practically insoluble in water, soluble in alcohol, Propylene glycol -and oils. | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
0.880 | [Odor]
at 100.00 %. fruity green waxy pear winey tropical grassy pineapple | [Odor Type]
green | [JECFA Number]
165 | [LogP]
4.54 | [CAS DataBase Reference]
31501-11-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanoic acid, 3-hexenyl ester, (z)-(31501-11-8) | [EPA Substance Registry System]
31501-11-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
MO8380000
| [HS Code ]
29159000 |
| Hazard Information | Back Directory | [Description]
cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green
odor.1 It is reminiscent of pear. May be synthesized by azeotropic
esterification of ds-3-hexanol with n-hexanoic acid. | [Chemical Properties]
cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor, reminiscent of pear. | [Occurrence]
Reported found among the high-boiling components in green tea; also as a component in the volatile fraction
of tabasco pepper (Capsicum frutescens). Also reported found in orange peel oil, guava, corn mint oil, passion fruit and juice, plum,
plumcot, starfruit, mango, quince, beli (Aegle marmelos Correa), babaco fruit (Carica pentagona Heilborn), nectarine and black
choke berry | [Uses]
cis-3-Hexenyl hexanoate has been suggested for use in perfumes and flavors. It will primarily find application in flavors, where its Pear-Pineapple character and comparatively powerful Aroma could blend with the conventional materials in such flavor compositions. As a novel note in modem fragrances, it could form part of fruity-green topnote complexes, a type which is rather popular lately. | [Definition]
ChEBI: Cis-3-Hexenyl hexanoate is a fatty acid ester. | [Preparation]
By azeotropic esterification of cis-3-hexanol with n-hexanoic acid | [Taste threshold values]
Taste characteristics at 20 ppm: green, fruity, waxy and sweet with a berry and tropical nuance |
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